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Structure of PDB 6ku3 Chain A Binding Site BS02

Receptor Information
>6ku3 Chain A (length=317) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDHIPLLRSPDPGDVFSGVPVVDLGSPGAARAVVDACERYGFFKVVNHGV
ATDTMDKAESEAVRFFSQTQPDKDRSGPAYPFGYGSKRIGFNGDMGWLEY
LLLALDDASLADACTVPSCAVFRAALNEYISGVRKVAVRVMEAMSEGLGI
AQADALSALVTAEGSDQVFRVNHYPPCRALQGLGCSVTGFGEHTDPQLVS
VLRSNGTSGLQIALRDGQWVSVPSDRDSFFVNVGDSLQVLTNGRFKSVKH
RVVANSLKSRVSFIYFGGPPLAQRIAPLPQLLGEGEQSLYKEFTWDEYKK
AAYKSRLGDNRLAQFEK
Ligand information
Ligand IDGA4
InChIInChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChIKeyRSQSQJNRHICNNH-NFMPGMCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O
OpenEye OEToolkits 1.5.0CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O
CACTVS 3.341C[C@]12[C@@H](O)CC[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O
CACTVS 3.341C[C]12[CH](O)CC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O
ACDLabs 10.04O=C(O)C4C21CC(\C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5
FormulaC19 H24 O5
NameGIBBERELLIN A4
ChEMBL
DrugBankDB07815
ZINCZINC000004102247
PDB chain6ku3 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ku3 A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y89 R179 P205 F275 A311 Y312 L316 R320
Binding residue
(residue number reindexed from 1)		Y80 R170 P196 F266 A302 Y303 L307 R311
Annotation score3
Enzymatic activity
Enzyme Commision number 1.14.11.13: gibberellin 2beta-dioxygenase.
Gene Ontology
Molecular Function
GO:0045543 gibberellin 2-beta-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0052634 C-19 gibberellin 2-beta-dioxygenase activity
Biological Process
GO:0009416 response to light stimulus
GO:0009685 gibberellin metabolic process
GO:0045487 gibberellin catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ku3, PDBe:6ku3, PDBj:6ku3
PDBsum6ku3
PubMed32358569
UniProtQ8S0S6|G2OX3_ORYSJ Gibberellin 2-beta-dioxygenase 3 (Gene Name=GA2OX3)

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